(2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(6-chloranylpurin-9-yl)propan-2-ol

Systemtic Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(6-chloranylpurin-9-yl)propan-2-ol Openeye Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(6-chloropurin-9-yl)propan-2-ol CAS Name: (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(6-chloro-9-purinyl)-2-propanol IUPAC Name: (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(6-chloropurin-9-yl)propan-2-ol Traditional Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(6-chloropurin-9-yl)propan-2-ol Formula: C29H27ClN4O4 MolecularWeight: 531.00208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC(CN4C=NC5=C4N=CN=C5Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@H](CN4C=NC5=C4N=CN=C5Cl)O

InChI

InChI=1S/C29H27ClN4O4/c1-36-24-12-8-21(9-13-24)29(20-6-4-3-5-7-20,22-10-14-25(37-2)15-11-22)38-17-23(35)16-34-19-33-26-27(30)31-18-32-28(26)34/h3-15,18-19,23,35H,16-17H2,1-2H3/t23-/m0/s1